Molecule

ID:115291

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₄OS
Molecular Mass
286.35216
Exact Mass
286.08883209
Charge
0
InChI
InChI=1S/C14H14N4OS/c1-9-6-13(15)18(17-9)14-16-12(8-20-14)10-4-3-5-11(7-10)19-2/h3-8H,15H2,1-2H3
InChIKey
HLTZDPVIMWPFOT-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1csc(n1)n1nc(cc1N)C
Isomeric Smiles
n1(c2nc(cs2)c2cc(OC)ccc2)c(cc(n1)C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.6631994
LogD (pH = 7.4)
2.6691701
Log P
2.6692467
Molar Refractivity
78.874
Polarizability
30.878777
Polar Surface Area
65.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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